2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide

C16H9ClF3N3O2 — CID 3270209

IUPAC2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H9ClF3N3O2/c17-11-5-8(16(18,19)20)6-22-15(11)23-7-10(13(24)14(21)25)9-3-1-2-4-12(9)23/h1-7H,(H2,21,25)
InChIKeyLJNWJHVYJUGJPM-UHFFFAOYSA-N
MW367.71 g/mol
LogP3.37
Rot. Bonds3

About 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide (PubChem CID 3270209) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
PubChem CID3270209
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H9ClF3N3O2/c17-11-5-8(16(18,19)20)6-22-15(11)23-7-10(13(24)14(21)25)9-3-1-2-4-12(9)23/h1-7H,(H2,21,25)
InChIKeyLJNWJHVYJUGJPM-UHFFFAOYSA-N
XLogP3.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
CID 20850729
methyl 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-3-(4-methoxyanilino)prop-2-enoate
CID 4586234
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
CID 24959859
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine
CID 170866888
1-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 87442017
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46640406
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-methylindole-3-carboxylic acid
CID 46910672
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
CID 3252409
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide (CID 3270209) is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12.
What is the InChIKey of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is LJNWJHVYJUGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-11-5-8(16(18,19)20)6-22-15(11)23-7-10(13(24)14(21)25)9-3-1-2-4-12(9)23/h1-7H,(H2,21,25).
What are the key properties of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide?
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 367.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 3270209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).